Materials Data on Lu5(Ge5Rh2)2 by Materials Project

doi:10.17188/1729521

Title: Materials Data on Lu5(Ge5Rh2)2 by Materials Project

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Abstract

Lu5(Rh2Ge5)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Lu sites. In the first Lu site, Lu is bonded in a 8-coordinate geometry to four equivalent Rh and twelve Ge atoms. All Lu–Rh bond lengths are 3.23 Å. There are eight shorter (2.92 Å) and four longer (3.35 Å) Lu–Ge bond lengths. In the second Lu site, Lu is bonded to four equivalent Rh and eight Ge atoms to form face-sharing LuGe8Rh4 cuboctahedra. All Lu–Rh bond lengths are 3.08 Å. There are a spread of Lu–Ge bond distances ranging from 2.91–3.11 Å. In the third Lu site, Lu is bonded in a 12-coordinate geometry to four equivalent Rh and ten Ge atoms. All Lu–Rh bond lengths are 3.29 Å. There are a spread of Lu–Ge bond distances ranging from 3.21–3.41 Å. Rh is bonded in a 10-coordinate geometry to five Lu and five Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.43–2.58 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Lu, two equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.44 Å. Inmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1197583

DOE Contract Number:: AC02-05CH11231; EDCBEE

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; Lu5(Ge5Rh2)2; Ge-Lu-Rh

OSTI Identifier:: 1729521

DOI:: https://doi.org/10.17188/1729521

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                    The Materials Project. Materials Data on Lu5(Ge5Rh2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1729521.

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                    The Materials Project. Materials Data on Lu5(Ge5Rh2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1729521

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                    The Materials Project. 2020.  
"Materials Data on Lu5(Ge5Rh2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1729521.  https://www.osti.gov/servlets/purl/1729521. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1729521,

  title        = {Materials Data on Lu5(Ge5Rh2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Lu5(Rh2Ge5)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Lu sites. In the first Lu site, Lu is bonded in a 8-coordinate geometry to four equivalent Rh and twelve Ge atoms. All Lu–Rh bond lengths are 3.23 Å. There are eight shorter (2.92 Å) and four longer (3.35 Å) Lu–Ge bond lengths. In the second Lu site, Lu is bonded to four equivalent Rh and eight Ge atoms to form face-sharing LuGe8Rh4 cuboctahedra. All Lu–Rh bond lengths are 3.08 Å. There are a spread of Lu–Ge bond distances ranging from 2.91–3.11 Å. In the third Lu site, Lu is bonded in a 12-coordinate geometry to four equivalent Rh and ten Ge atoms. All Lu–Rh bond lengths are 3.29 Å. There are a spread of Lu–Ge bond distances ranging from 3.21–3.41 Å. Rh is bonded in a 10-coordinate geometry to five Lu and five Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.43–2.58 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Lu, two equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.44 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to five Lu, two equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.55 Å. In the third Ge site, Ge is bonded in a 2-coordinate geometry to four Lu, two equivalent Rh, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.86 Å.},

  doi          = {10.17188/1729521},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1729521

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